SCHEMBL4470111

SCHEMBL4470111

O=S(=O)(NCCc1ccccc1)c1cccc2c(O)cccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.71
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
AKR1C3 P42330 1/20 0.49
CDK2 P24941 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRMT1 Q99873 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14919628 0.91 NSD2 (0.83) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4483905 0.85 NSD2 (0.69) NSD2ALDH1A1KDM4EMAPK1CDK2
SCHEMBL3701345 0.84 NSD2 (0.72) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4441217 0.83 NSD2 (1.00) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4446911 0.82 NSD2 (1.00) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3693790 0.80 NSD2 (0.70) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4455276 0.79 NSD2 (0.62) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11686439 0.78 NSD2 (0.86) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8624405 0.78 NSD2 (0.60) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4489568 0.76 AKR1C3 (0.57) ALDH1A1KDM4EMAPK1TDP1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US claimed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 US claimed
US-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US disclosed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215645-A1 Amide derivatives OGG1, HDAC1, BCL2A1 NSD2 639/4885ALDH1A1 1461/4885KDM4E 2212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.